6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile

C15H23N5 — CID 107552639

IUPAC6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(CC2CCNCC2)C(C)C)n1
InChIInChI=1S/C15H23N5/c1-11(2)20(10-13-4-6-17-7-5-13)15-18-12(3)8-14(9-16)19-15/h8,11,13,17H,4-7,10H2,1-3H3
InChIKeyJNTJVYYWJFOMIX-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.87
Rot. Bonds4

About 6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile

6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile (PubChem CID 107552639) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
PubChem CID107552639
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(N(CC2CCNCC2)C(C)C)n1
InChIInChI=1S/C15H23N5/c1-11(2)20(10-13-4-6-17-7-5-13)15-18-12(3)8-14(9-16)19-15/h8,11,13,17H,4-7,10H2,1-3H3
InChIKeyJNTJVYYWJFOMIX-UHFFFAOYSA-N
XLogP1.87
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544097
6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552634
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 79719702
6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 79719998
3-bromo-4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzonitrile
CID 82809511
2-[ethyl(piperidin-4-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 114770166
2-chloro-4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzonitrile
CID 79719772
3-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 79719273
2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544849
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile (CID 107552639) is 6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile is Cc1cc(C#N)nc(N(CC2CCNCC2)C(C)C)n1.
What is the InChIKey of 6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile?
The InChIKey is JNTJVYYWJFOMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11(2)20(10-13-4-6-17-7-5-13)15-18-12(3)8-14(9-16)19-15/h8,11,13,17H,4-7,10H2,1-3H3.
What are the key properties of 6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile?
6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107552639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).